GNOFm25

Warning: MAD value is too high for system 27 in set HEAVY28 and was excluded
Warning: MAD value is too high for system 25 in set HEAVY28 and was excluded

Mean Absolute Deviation (MAD) of the set

• Computed as the sum of all Absolute Deviations (AD) divided by 100 (the number of reactions on the set).

---

MAD ‘Slim05’ = ‘8.03’ kcal/mol

Loading BokehJS ...

Contribution of each subset to Mean Absolute Deviation of the set

The following plot indicates the contribution of each subset to the MAD of the whole set.

• Computed as the sum of the Absolute Deviations of each subset divided by 100.

• The sum of each bar result in MAD_’Slim05’

Mean Absolute Deviation per subset

The following plot indicates the MAD of each subset.

• Computed as the sum of the Absolute Deviations of each subset divided by the number of reactions in the subset.

/home/jfhlewyee/anaconda3/envs/jb/lib/python3.13/site-packages/numpy/_core/fromnumeric.py:3860: RuntimeWarning: Mean of empty slice.
  return _methods._mean(a, axis=axis, dtype=dtype,
/home/jfhlewyee/anaconda3/envs/jb/lib/python3.13/site-packages/numpy/_core/_methods.py:145: RuntimeWarning: invalid value encountered in scalar divide
  ret = ret.dtype.type(ret / rcount)